3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine

C13H20N4O — CID 114704584

IUPAC3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine
SMILESCc1cc(Cn2cncc2C(N)CC(C)C)no1
InChIInChI=1S/C13H20N4O/c1-9(2)4-12(14)13-6-15-8-17(13)7-11-5-10(3)18-16-11/h5-6,8-9,12H,4,7,14H2,1-3H3
InChIKeyBJSLKGCBSJRZEQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.27
Rot. Bonds5

About 3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine

3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine (PubChem CID 114704584) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine
PubChem CID114704584
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine
SMILESCc1cc(Cn2cncc2C(N)CC(C)C)no1
InChIInChI=1S/C13H20N4O/c1-9(2)4-12(14)13-6-15-8-17(13)7-11-5-10(3)18-16-11/h5-6,8-9,12H,4,7,14H2,1-3H3
InChIKeyBJSLKGCBSJRZEQ-UHFFFAOYSA-N
XLogP2.27
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 104942425
1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706506
1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 114707725
3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine
CID 114707663
3-methyl-1-[3-(3-methylsulfanylpropyl)imidazol-4-yl]butan-1-amine
CID 114706133
3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine
CID 114705901
3-methyl-1-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]butan-1-amine
CID 114130068
3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine
CID 114703737
1-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 114705224
3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide
CID 114705066
3-methyl-1-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine
CID 114705989
(1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine
CID 106377532

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine (CID 114704584) is 3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine is Cc1cc(Cn2cncc2C(N)CC(C)C)no1.
What is the InChIKey of 3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine?
The InChIKey is BJSLKGCBSJRZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(2)4-12(14)13-6-15-8-17(13)7-11-5-10(3)18-16-11/h5-6,8-9,12H,4,7,14H2,1-3H3.
What are the key properties of 3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine?
3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 114704584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).